6-bromo-N-(6-chloro-4-methyl-3-pyridinyl)pyridine-3-carboxamide

C12H9BrClN3O — CID 113263005

IUPAC6-bromo-N-(6-chloro-4-methyl-3-pyridinyl)pyridine-3-carboxamide
SMILESCc1cc(Cl)ncc1NC(=O)c1ccc(Br)nc1
InChIInChI=1S/C12H9BrClN3O/c1-7-4-11(14)16-6-9(7)17-12(18)8-2-3-10(13)15-5-8/h2-6H,1H3,(H,17,18)
InChIKeyDCVKRYPBTJKPOW-UHFFFAOYSA-N
MW326.58 g/mol
LogP3.45
Rot. Bonds2

About 6-bromo-N-(6-chloro-4-methyl-3-pyridinyl)pyridine-3-carboxamide

6-bromo-N-(6-chloro-4-methyl-3-pyridinyl)pyridine-3-carboxamide (PubChem CID 113263005) has the molecular formula C12H9BrClN3O and a molecular weight of 326.58 g/mol. Its IUPAC name is 6-bromo-N-(6-chloro-4-methyl-3-pyridinyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(6-chloro-4-methyl-3-pyridinyl)pyridine-3-carboxamide
PubChem CID113263005
Molecular FormulaC12H9BrClN3O
Molecular Weight326.58 g/mol
Exact Mass324.96
IUPAC Name6-bromo-N-(6-chloro-4-methyl-3-pyridinyl)pyridine-3-carboxamide
SMILESCc1cc(Cl)ncc1NC(=O)c1ccc(Br)nc1
InChIInChI=1S/C12H9BrClN3O/c1-7-4-11(14)16-6-9(7)17-12(18)8-2-3-10(13)15-5-8/h2-6H,1H3,(H,17,18)
InChIKeyDCVKRYPBTJKPOW-UHFFFAOYSA-N
XLogP3.45
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.58
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(6-chloro-4-methyl-3-pyridinyl)-4-ethylbenzamide
CID 113262953
6-bromo-N-(3-chloro-4-methylphenyl)pyridine-3-carboxamide
CID 66462281
6-bromo-N-(6-chloro-3-pyridinyl)pyridine-3-carboxamide
CID 79420958
N-(6-bromo-3-pyridinyl)-6-chloropyridine-3-carboxamide
CID 103789282
6-bromo-N-(2,6-dichloro-3-methylphenyl)pyridine-3-carboxamide
CID 66462872
6-bromo-N-(4,5-dimethyl-2-nitrophenyl)pyridine-3-carboxamide
CID 66465119
6-bromo-N-(5-cyano-2-methylphenyl)pyridine-3-carboxamide
CID 66464924
2-[(6-bromopyridine-3-carbonyl)amino]-5-chlorobenzoic acid
CID 66468610
6-bromo-N-(3,5-dichloro-6-methyl-2-pyridinyl)pyridine-3-carboxamide
CID 66462941
methyl 2-[(6-bromopyridine-3-carbonyl)amino]-5-chlorobenzoate
CID 66462125
6-bromo-N-(2,4,6-trichlorophenyl)pyridine-3-carboxamide
CID 66462095
6-chloro-N-(2-methylphenyl)pyridine-3-carboxamide
CID 2599141

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(6-chloro-4-methyl-3-pyridinyl)pyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-(6-chloro-4-methyl-3-pyridinyl)pyridine-3-carboxamide (CID 113263005) is 6-bromo-N-(6-chloro-4-methyl-3-pyridinyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-(6-chloro-4-methyl-3-pyridinyl)pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-(6-chloro-4-methyl-3-pyridinyl)pyridine-3-carboxamide is Cc1cc(Cl)ncc1NC(=O)c1ccc(Br)nc1.
What is the InChIKey of 6-bromo-N-(6-chloro-4-methyl-3-pyridinyl)pyridine-3-carboxamide?
The InChIKey is DCVKRYPBTJKPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClN3O/c1-7-4-11(14)16-6-9(7)17-12(18)8-2-3-10(13)15-5-8/h2-6H,1H3,(H,17,18).
What are the key properties of 6-bromo-N-(6-chloro-4-methyl-3-pyridinyl)pyridine-3-carboxamide?
6-bromo-N-(6-chloro-4-methyl-3-pyridinyl)pyridine-3-carboxamide has a molecular weight of 326.58 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(6-chloro-4-methyl-3-pyridinyl)pyridine-3-carboxamide is sourced from PubChem (CID 113263005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).